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Progress in Chemistry 2013, No.07 Previous issue Next issue
Mini Accounts
Advanced Particulate Biomedical Materials and Their Interactions with Cells
Mao Zhengwei, Zhang Yuanhong, Li Huiying, Tong Weijun, Gao Changyou*
2013, 25 (07): 1061-1070 | DOI: 10.7536/PC121266
Published: 25 July 2013
Abstract

Along with the rapid development of micro and nanotechnology, the colloidal particles are taking more and more important roles in biological field as detective probes for disease diagnosis and drug carriers for sustained release and targeted delivery. On one hand, to fulfill the demands of these biological applications, various novel particulate materials with finely tuned surface chemistry and morphology, well defined stimuli responsiveness as well as adjustable substance loading and release properties have been developed in our lab. On the other hand, efforts are made to understand the cellular uptake of particles, and thereby the influence on cell functions, which is mandatory for their biomedical applications. In this mini-account, we systematically summarize our efforts to prepare and functionalize the particulate materials, especially the hollow microcapsules fabricated by the layer-by-layer (LbL) assembly of oppositely charged polyelectrolytes on colloidal templates, followed by core removal. The influences of physiochemical properties of these colloidal particles on the cellular uptake, intracellular distribution and transportation are then introduced. Their impacts on cytotoxicity and subsequent cell functions, especially on cell mobility and phenotype, are also discussed.

Review
Synthesis of Aryl Trifluoromethyl Thioethers
He Weiming, Weng Zhiqiang*
2013, 25 (07): 1071-1078 | DOI: 10.7536/PC130114
Published: 25 July 2013
Abstract

Aromatic trifluoromethylthio components (ArSCF3) have found in many pharmaceuticals, agrochemicals and materials because of their high lipophilicity and hydrophobicity parameter. Consequently, the development of efficient methods for preparing ArSCF3 compounds has been a topic of increasing importance in organic synthesis. This review focuses particularly on the presently known trifluoromethylthiolation divided into “direct” and “indirect” methods. Recent advances in the development of new strategies for incorporation of -SCF3 groups into organic molecules including nucleophilic, electrophilic, radical trifluoromethylthiolation, and new trifluoromethylthiolation reagents and reactions are reviewed. Lastly, the synthetic challenges and research trend for trifluoromethylthiolation are also discussed. Contents
1 Introduction
2 Indirect methods for synthesis of aryl trifluoromethyl thioethers
2.1 Halogen-fluorine exchange
2.2 Incorporation of CF3 group to sulfur atom containing substrates
3 Direct methods for synthesis of aryl trifluoromethyl thioethers
3.1 Electrophilic trifluoromethythiolation
3.2 Nucleophilic trifluoromethythiolation
3.3 Transition metal-catalyzed trifluoromethythio-lation
4 Trifluoromethythiolation of olefins and alkynes
5 Conclusion and outlook

9,10-Distyrylanthracene Derivatives: Aggregation Induced Emission, Mechanism and Their Applications
Xu Bin, Zhang Jibo, Ma Suqian, Chen Jinlong, Dong Yujie, Tian Wenjing*
2013, 25 (07): 1079-1089 | DOI: 10.7536/PC130116
Published: 25 July 2013
Abstract

Comparing the conventional luminescent molecules, whose fluorescence is quenched once they aggregate, molecules with aggregation-induced emission properties exhibit significantly enhanced emission in solid state or aggregates due to their unique molecular structures and stacking modes, showing potential applications in optoelectronic devices, biochemical sensors and bioimaging. This paper mainly focus on the AIE properties of 9,10-distyrylanthracene (DSA) derivatives, and the AIE mechanism such as the restriction of intramolecular rotation, the twisted conformation of molecules and the packing structures. Also, the applications of DSA derivatives in solid state emitters, stimuli-responsive materials, biochemical sensors and bioimaging are introduced. Contents
1 Introduction
2 AIE molecules based on 9,10-distyrylanthracene
2.1 Small molecules
2.2 Macromolecules
3 The AIE mechanism of 9,10-distyrylanthracene based molecules
4 Applications of AIE luminogens based on 9,10-distyrylanthracene derivatives
4.1 High efficiency solid emitter
4.2 Piezallochromy
4.3 Fluorescent sensor
4.4 Bioimaging
5 Conclusion and outlook

Small Molecular Organic Electroluminescent Materials Based on 8-Hydroxyquinoline and Its Derivatives
Su Bin, Zhao Jing, Liu Chunbo, Che Guangbo, Wang Qingwei, Xu Zhanlin
2013, 25 (07): 1090-1101 | DOI: 10.7536/PC121108
Published: 25 July 2013
Abstract

Organic light-emitting diodes (OLEDs) have emerged as a potential candidate for new flat panel display due to their advantages such as low driving voltage, high brightness and luminous efficiency. Since tris(8-hydroxyquinolinato)aluminum (Alq3)-based double layer thin-film device was prepared, much progress has been made in new electroluminescence (EL) materials which were designed and synthesized by researchers. Organic metal complexes based on 8-hydroxyquinoline and its derivatives are widely used due to simple synthesis, high luminance and efficiency as well as superior film morphology. This paper sketches the advantages, construction and working mechanism of OLEDs and stresses the research progress in small molecular organic EL materials based on 8-hydroxyquinoline and its derivatives as ligands. This article is written basically from the molecular design point of view and aims at the significant developments in metal organic complexes based on 8-hydroxyquinoline and its derivatives that have been designed and synthesized intentionally for OLEDs. Firstly, organic metal complexes based on 8-hydroxyquinoline as single ligand show favourable characteristics such as excellent electron-transport capability, high brightness and employment as host materials. Secondly, the EL colors could be tuned by modification of substituents at phenoxide or pyridine ring. Thirdly, the usage of mixed ligand can increase glass transition temperature and decorate morphology of film then result in high efficiency and stability. In the end, the current status, existing issues and prospects in this field are also discussed. Contents
1 Introduction
2 Structure and working mechanism of OLEDs
2.1 Structure of OLEDs
2.2 Working mechanism of OLEDs
3 Application of 8-hydroxyquinoline organic metal complexes in OLED
3.1 8-Hydroxyquinoline as single ligand
3.2 Derivatives of 8-hydroxyquinoline as ligands
3.3 Complexes of mixed-ligands
4 Conclusion and outlook

Electrolyte for All-Vanadium Redox Flow Battery
Wang Gang, Chen Jinwei, Wang Xueqin, Tian Jing, Liu Xiaojiang, Wang Ruilin
2013, 25 (07): 1102-1112 | DOI: 10.7536/PC121119
Published: 25 July 2013
Abstract

In recent years, all-vanadium redox flow battery (VRFB) has been paid much attention as a new type of battery for energy storage. Researchers have been focusing much on production and optimization of vanadium electrolyte solutions used for the key materials in VRFB. Production of high concentration and stability electrolyte is one of key technologies referring to VRFB. Commercialization process can be accelerated with the performance improvement of vanadium electrolyte solutions. The research progress in VRFB electrolyte solutions is summarized in this paper. The preparation methods and influence factors of stability on vanadium electrolyte solutions are mainly introduced, and concentration analysis methods and existence forms of vanadium ions in vanadium electrolyte solutions are also discussed. Moreover, further research and prospects on vanadium electrolyte solutions are presented. Contents
1 Introduction
2 Production of vanadium electrolyte solutions
2.1 Chemical synthesis methods
2.2 Electrolytic synthesis methods
3 Concentration analysis of vanadium electrolyte solutions
4 Research on stability of vanadium ions in vanadium electrolyte solutions
4.1 Supporting electrolyte solutions
4.2 Temperature
4.3 Additives
5 Research on existence forms of vanadium ions in vanadium electrolyte solutions
6 Outlook

New Porous Boron Nitride Materials
Liu Dong, Tang Chengchun, Xue Yanming, Li Jie
2013, 25 (07): 1113-1121 | DOI: 10.7536/PC121153
Published: 25 July 2013
Abstract

As a new porous non-oxide material, porous boron nitride has attracted increasing interests due to its plenty of unique properties such as large specific surface area, tunable pore size, excellent chemical inertness and thermal stability, which are useful in catalysis, hydrogen storage, gas adsorption and separation. Based on the different pore sizes, porous boron nitride is divided into four types, namely, microporous boron nitride, mesoporous boron nitride, macroporous boron nitirde and hierarchical boron nitride. In this review, recent development of porous boron nitride with different structures is summarized. The synthesis and properties of different types of boron nitride are emphatically described, and the advantages and disadvantages of various synthesis methods are discussed. Finally, the promising applications and development directions of porous boron nitride are highlighted. Contents
1 Introduction
2 Synthesis methods of porous boron nitride materials
2.1 Template synthesis
2.2 High pressure reaction synthesis
3 Microporous boron nitride materials
4 Mesoporous boron nitride materials
4.1 Ordered mesoporous boron nitride materials
4.2 Disordered mesoporous boron nitride materials
5 Macroporous boron nitride materials
6 Hierarchical porous boron nitride materials
7 Conclusion and outlook

Hydrogen Storage Nanoalloys
Li Xue, Zhang Yifang, Qi Weihong, Cao Xiaowu, Wang Yuan, Li Haohua
2013, 25 (07): 1122-1130 | DOI: 10.7536/PC121142
Published: 25 July 2013
Abstract

Hydrogen energy, as a new kind of clean energy, is getting increasingly important in the energy crisis in recent decades. Nanoalloys show great foreground because of their extraordinary properties in different fields of subjects. The hydrogen storage nanoalloys have been regarded as one of the most important hydrogen storage materials. In this review, we introduce the principle of the hydrogen storage nanoalloys and properties of different kinds of hydrogen storage materials, which offer guidance from the point of view of thermodynamics and kinetics. Three methods to improve the hydrogen storage are discussed, namely alloying, non-crystallizing, and nanocrystallization. Then several preparation methods of hydrogen storage nanoalloys are reviewed with brief introduction of their advantages and disadvantages, where we pay more attention to the three methods, i.e., the mechanical disintegration/alloying, gaseous coacervation and cluster beam deposition. Furthermore, the factors affecting the properties of hydrogen storage alloy, such as structure, component and size, are discussed. In the end, we prospect the future of hydrogen storage materials. Contents
1 Introduction
2 Principle of hydrogen storage nanoalloys
3 Properties of different kinds of hydrogen storage materials
4 Methods to improve the hydrogen storage
4.1 Alloying
4.2 Non-crystallizing
4.3 Nanocrystallization
5 Preparation methods
5.1 Mechanical disintegration/alloying method
5.2 Gaseous coacervation method
5.3 Cluster beam deposition method
5.4 Preparation of composite alloys
5.5 Other methods
6 Factors affecting hydrogen storage
6.1 Structure
6.2 Component
7 Conclusions and outlook

Review
Anticancer Polyoxometalates
Wang Lu, Zhou Baibin, Liu Jiaren
2013, 25 (07): 1131-1141 | DOI: 10.7536/PC121122
Published: 25 July 2013
Abstract

Polyoxometalates (POMs) have attracted a considerable attention due to their unique structural characteristics and chemical properties. The research of polyoxometalates as anticancer chemotherapy drugs especially has become inexhaustible motivation to the scholars. Therefore, the anticancer activities of POMs become one of the frontier subjects in this field. This paper summarizes the research progress in the field of anticancer bioactivities of polyoxometalates at home and abroad, including the basis of anti-cancer effect of polyoxometalates, anti-cancer effect in vitro, anti-cancer effect in vivo and the anticancer mechanism of isopoly acid and heteropoly acid with diversiform structured types. It has put forward some solutions to the important problems in anticancer application research of polyoxometalates currently. This paper provides the reference for the anticancer drug research of polyoxometalates. Contents
1 Introduction
2 Basis of anticancer effect of polyoxometalates
2.1 Origin of cancer
2.2 Anticancer active site
3 Anticancer research of polyoxometalates in vitro
3.1 Anticancer effect of isopoly acid in vitro
3.2 Anticancer effect of heteropoly acid in vitro
4 Anticancer research of polyoxometalates in vivo
4.1 Anticancer effect of isopoly acid in vivo
4.2 Anticancer effect of heteropoly acid in vivo
5 Anticancer mechanism of polyoxometalates
6 Conclusion and outlook

Application of Diaryliodonium Salts in Arylation Reaction
Zhang Bianxiang*, Zhao Xiaoyun, Wu Qun, Guo Yili
2013, 25 (07): 1142-1148 | DOI: 10.7536/PC121127
Published: 25 July 2013
Abstract

Diaryliodonium salt is one of the hypervalent organoiodine species, which has many advantages including non-toxic, mild conditions and excellent selectivity in reactions. It is highly important in organic synthesis and attracts many chemists’ attention. Recently, the arylation reaction by diaryliodonium salts under metal catalysts provides a simple and efficient way to synthesize heterocyclic compounds which are difficult to synthesize, in addition, the emergence of arylation reaction under no metal catalytic conditions has made a green synthesis route for C-C coupling reactions. We review the arylation reactions by diaryliodonium salts in recent years, especially the reactions between diaryliodonium salts with organometallic reagents, alkenes, alkynes and heterocyclic compounds, and summarize the mechanisms of arylation reactions between diaryliodonium salts and heterocyclic compounds with palladium, copper catalysts or without metal catalysts. The development trend of applications in organic synthesis of diaryliodonium salts is also prospected. Contents
1 Introduction
2 Arylation of organometallic reagents
3 Arylation of alkenes or alkynes
4 Arylation of heterocyclic compounds
5 Other types of arylation reaction
6 Conclusion and outlook

Application of 1,1-Dibromo-2-Arylalkene in Cyclization Reaction
Zhang Wensheng, Li Wei, Kuang Chunxiang
2013, 25 (07): 1149-1157 | DOI: 10.7536/PC121152
Published: 25 July 2013
Abstract

1,1-Dibromo-2-arylalkenes, a kind of important organic intermediates, which are easily prepared from aryl aldehydes by Corey and Fuchs' procedure, have been found wide applications in the synthesis of polysubstituted alkenes, (E)-arylvinyl bromides, arynes, 1,3-diynes, polyynes, 1-bromo-1-alkynes and ynamines. Due to the difference of reactive activity between (E)-Br and (Z)-Br, 1,1-dibromo-2-arylalkenes are fit for designing tandem reaction. In recent years, various fused ring compounds and heterocyclic compounds bearing potential biological activities and synthetic value including isocoumarin, indene, indole, isoindole, benzothiophene and benzofuran, etc. were synthesized through 1,1-dibromo-2-arylalkenes based on Stille reaction, Heck reaction, Suzuki-Miyaura reaction, Buchwald-Hartwig reaction, etc. involving the (E)-Br and cyclization between the (E)-Br and the active group at the para-position of the aryl ring. In this paper, the application of 1,1-dibromo-2-arylalkenes on cyclization reaction in the past decade is surveyed. Contents
1 Introduction
2 Synthesis of isocoumarin derivatives
3 Synthesis of indene derivatives
4 Synthesis of indole derivatives
5 Synthesis of isoindole derivatives
6 Synthesis of polycyclic heterocyclic compounds
7 Synthesis of benzothiophene and benzofuran derivatives
8 Synthesis of heterocyclic compounds containing two heteroatoms
9 Comments and outlook

Oxidation of Tetrahydrofuran
Wang Meng, Hui Yonghai, Zhang Xuehua, Wei Yana, Shi Minshan, Wang Jide*
2013, 25 (07): 1158-1165 | DOI: 10.7536/PC121158
Published: 25 July 2013
Abstract

The oxidation of tetrahydrofuran is an important organic oxidation reaction, the studies of the oxidation of tetrahydrofuran would provide the references and theoretical basis of the α C-H selective activation to other organic matters. Tetrahydrofuran is also a kind of organic chemical raw materials and fine chemical raw materials, therefore the study of tetrahydrofuran oxidation is of very important significance in the field of organic synthesis and industrial production applications. In this paper, the recent progress on the oxidation of tetrahydrofuran is reviewed and the catalytic oxidations of tetrahydrofuran by dioxygen and hydrogen peroxide are introduced with emphasis. Electrochemical oxidation of tetrahydrofuran and several other catalytic oxidation methods of tetrahydrofuran are also summarized. Furthermore, the possible oxidation mechanisms of some important reactions are discussed. Based on the development trends related to the oxidation of tetrahydrofuran in recent years, the hotspots of future research are proposed. Contents
1 Introduction
2 Oxidation of tetrahydrofuran
2.1 Catalytic oxidation of tetrahydrofuran by oxygen
2.2 Catalytic oxidation of tetrahydrofuran by hydrogen peroxide
2.3 Catalytic oxidation of tetrahydrofuran by bromate
2.4 Oxidation of tetrahydrofuran by electrochemical methods
3 Conclusion and outlook

Review
Synthesis of Poly(3-Alkylthiophene)s
Chen Zhouqun, Ma Chang-Qi
2013, 25 (07): 1166-1176 | DOI: 10.7536/PC121111
Published: 25 July 2013
Abstract

Owing to their excellent optoelectronic properties, poly(3-alkylthiophene)s (P3AT) has been considered as one of the best conjugated polymers for use in organic electronics devices, such as, organic field-effect transistors (OFET), organic light-emitting diodes (OLED), and organic photovoltaics (OPV). Because of the asymmetrical structure of 3-alkylthiophene, there are three possible linkages between two neighboring thiophene units, which leads to the regioregularity issues for P3AT. In comparison with regiorandom P3AT, the regioregular P3ATs exhibit better optoelectronic performance, and have attracted much attention. Synthesis of the regioregular P3AT is, however, more challenging for synthetic polymer scientists. Over the past three decades, various metal-catalyzed C-C coupling reaction have been utilized for synthesis of regioregular P3AT, including McCullough method, Rieke method, Grignard methathesis (GRIM), Suzuki-coupling, Stille-coupling, and C-H activated polymerization. In this mini-review paper, the above mentioned synthetic methods are summarized. The mechanism and advantages of these methods are compared and discussed. The current review paper gives an general overview on the research development on the synthesis of P3AT. In the end, we would like point out that direct C-H activated polymerization is the most promising synthetic method for conjugated polymers due to its high atom economy efficiency. Contents
1 Introduction
2 Regioregularity and applications of poly(3-alkylthiophene)s
2.1 Regioregularity of poly(3-alkylthiophene)s
2.2 Application of poly(3-alkylthiophene)s in the organic electronic devices
3 Methods for the synthesis of poly(3-alkyl-thiophene)s
3.1 Chemical and electrochemical polymerization
3.2 Chemical coupling methods to regiorandom poly(3-alkylthiophene)s
3.3 Synthesis of regioregular poly(3-alkylthiophene) by metal-catalyzed C-C coupling reaction
4 Summary and outlook

Colorimetric and Fluorescent Chemosensors for Hg2+ Ions
Lin Qi, Chen Pei, Liu Juan, Fu Yongpeng, Zhang Youming, Wei Taibao
2013, 25 (07): 1177-1186 | DOI: 10.7536/PC121147
Published: 25 July 2013
Abstract

The colorimetric or fluorescent Hg2+ sensors received more and more attention because these kinds of sensors possess a lot of advantages such as high sensitivity, not require expensive equipment and easy to operate. The advances in the research of colorimetric or fluorescent sensors for Hg2+ are highlighted in this review. We grouped these Hg2+ sonsors into three categories according to their recognition mechanisms, reaction based Hg2+ sensors, coordination based Hg2+ sensors, and nano-materials based Hg2+ sensors, respectively. For reaction based sensors, depending on their specific reaction mechanisms, we grouped them into four categories: Hg2+ induced Rhodamine spirolactam ring-opening process, Hg2+ induced desulfation or deselenization and cyclization process, selective mercuration reaction, and Hg2+ catalysed specific reaction. This review summarizes the main design principles, Hg2+ recognition abilities and recognition mechanism of these sensors. The developing orientation for futher research is presented. Contents
1 Introduction
2 Design principles of colorimetric or fluorescent Hg2+ sensors
3 Reaction based Hg2+ sensors
3.1 Hg2+ induced Rhodamine spirolactam ring-opening process
3.2 Hg2+ induced desulfation or deselenization and cyclization process
3.3 Selective mercuration reaction
3.4 Hg2+ catalysed specific reaction
4 Coordination based Hg2+ sensors
5 Nano-materials based Hg2+ sensors
6 Conclusion and outlook

Nanoparticle-Involved Luminol Chemiluminescence and Its Analytical Applications
Wu Liang, Mu Chunlei, Zhang Qunlin*, Lü Chen, Zhang Xiaoyue
2013, 25 (07): 1187-1197 | DOI: 10.7536/PC121130
Published: 25 July 2013
Abstract

The theory and applications of chemiluminescence (CL) have been investigated for many years, but the study of CL was limited to the molecular and ion systems. Nanoparticles (NPs) have quantum size effects, high surface energy, and large surface area, which dramatically change their density states and the spatial scale of their electronic motion. The redox reactions can be strongly catalyzed by NPs, which is promising for the signal amplification of CL. In the recent years, NP-involved CL became one of the most attractive developments, in which NPs can participate in CL reactions as catalyst,reductant, nanosized reaction platform, and energy acceptor. In this review, the NP-involved luminol CL system and its coupling with separation technology such as high performance liquid chromatography (HPLC), capillary electrophoresis (CE) are described. NPs as a novel response unit of CL system are very important for increasing the luminescent efficiency of luminol reaction and developing new luminol CL system. Different kinds of NPs have been reported to participate luminol CL reaction, including gold (AuNPs), platinum (PtNPs), silver (AgNPs), bimetallic NPs, semiconductor NPs, and magnetic (MNPs). The NP-involved luminol CL is not only widely applied in the environmental, pharmaceutical and food analysis, but also shows great potential in immunoassay. Furthermore, some critical challenges and their possible solutions in the study of NP-involved luminol CL are briefly discussed. Contents
1 Introduction
2 AuNPs-catalyzed luminol CL
2.1 AuNPs-catalyzed luminol-H2O2 CL
2.2 AuNPs-catalyzed luminol-ferricyanide CL
2.3 AuNPs-catalyzed luminol-periodate CL
2.4 AuNPs-catalyzed luminol-AgNO3 CL
2.5 AuNPs-catalyzed other luminol CL
3 PtNPs involved luminol CL
4 AgNPs involved luminol CL
5 Other nanoparticles-involved luminol CL
5.1 Bimetallic nanoparticles-involved luminol CL
5.2 Semiconductor nanoparticles-involved luminol CL
5.3 Magnetic nanoparticles-involved luminol CL
6 Separation technology coupling with nanoparticles-involved luminol CL detection
6.1 Coupling with HPLC
6.2 Coupling with CE
7 Conclusion and outlook

Preparation and Application of Immobilized Enzyme Micro-Reactor
Shen Gangyi, Yu Wanting, Liu Meirong, Cui Xun
2013, 25 (07): 1198-1207 | DOI: 10.7536/PC121161
Published: 25 July 2013
Abstract

As one kind of new biochemical reaction device, immobilized enzyme micro-reactor is the combination of biomolecule immobilizing technique and modern micro-reaction method. In view of its advantages in efficiency, economy and addressable recognition specially, micro-reactor plays a significant role in the research of life science, such as proteomics, screening of enzyme inhibitors, biocatalysis and so on. With the development of immobilizing materials and fabrication methods, the performance of enzyme micro-reactor has been improved greatly, and enzyme micro-reactor has been applied to many research fields. This article focuses on the preparation methods and the applications of immobilized enzyme micro-reactor for the past few years. The advantages and shortcomings of the current state-of-the-art preparation methods are particularly discussed. In addition, the prospects of its future study are outlined. Contents
1 Introduction
2 Preparation of immobilized enzyme micro-reactor
2.1 Convalent bonding
2.2 Physical adsorption
2.3 Encapsulation
2.4 Metal-ion chelated adsorption
2.5 Biological binding
3 Applications
4 Outlook

Molecular Simulations of ATP-Binding Cassette Transporters
Chang Shanyan, Liu Fufeng*
2013, 25 (07): 1208-1218 | DOI: 10.7536/PC121118
Published: 25 July 2013
Abstract

The ATP-binding cassette (ABC) transporters are integral membrane proteins that can use the energy provided by ATP hydrolysis to actively drive substrates across cell membranes. ABC transporters are linked to many important physiological processes and human diseases. Although many researches have been done, some experimental methods have a lot of restrictions on them because of their complex structures. However, molecular simulations are complements to experimental methods and become indispensable research tools. In this paper, the recent development of the applications of the molecular simulation techniques (e.g., homology modeling, molecular docking and molecular dynamics simulation) on the research of ABC transporters is reviewed. It includes that 3D structures of ABC transporters are built using homology modeling, the binding sites of ABC transporters are identified using molecular docking, and the molecular mechanism of the conformational transition of ABC transporters are probed using molecular dynamics simulations. Finally, the challenges and the developing prospects are proposed and listed at the end of this paper. Contents
1 Introduction
2 Homology modeling of ABC transporters
2.1 Fundamentals of homology modeling
2.2 Building 3D structures of ABC transporters
3 Molecular docking studies of ABC transporters
3.1 Fundamentals of molecular docking
3.2 Molecular docking studies on human P-gp
4 Molecular dynamics simulations of ABC transporters
4.1 Fundamentals of MD simulations
4.2 Conventional MD simulations of ABC transporters
4.3 Targeted MD simulations of ABC transporters
4.4 Steered MD simulations of ABC transporters
5 Conclusions and outlooks

Iron Oxide Catalyzed Fenton-Like Reaction
Feng Yong, Wu Deli*, Ma Luming
2013, 25 (07): 1219-1228 | DOI: 10.7536/PC121143
Published: 25 July 2013
Abstract

Advanced oxidation processes (AOPs) have attracted much attention in the field of water or wastewater treatment. As one of the most investigated AOPs, Fenton reagents have notably advantages of convenient operation, mild condition and high performance of degradation. Iron oxide catalyzed Fenton-like reaction, which can be operated effectively in wide range of pH values with convenient catalyst separation and reutilization, has been intensively investigated as one of the most promising developments of Fenton-like reaction during the past two decades. However, when compared with traditional Fenton reagents, these iron oxides initiated Fenton-like processes often encounter much more complicated reaction steps. The main mechanisms are reviewed, including radical mechanism, oxygen vacancies mechanism and high-valent iron species mechanism. The rate of Fe(Ⅱ) generation or Fe(Ⅲ) reduction in pure iron oxides is greatly limited and the circulation of Fe(Ⅲ)/Fe(Ⅱ) has demonstrated to be the rate-controlling steps of Fenton-like reaction. In order to accelerate this limiting step and improve the reactivity of Fenton-like reaction, modified catalysts including multivalent iron mixtures and transition metal doped iron oxides are developed. Before describing the catalytic performance, effects of modification on the morphology, structure and element composition of iron oxides are examined profoundly. Results show that the speciation of iron, the specific surface area of catalysts and the electron transfer between H2O2 and iron oxide are all playing an important role in the reactivity of Fenton-like reaction. The future development and investigations of heterogeneous catalysts are also discussed. Contents
1 Introduction
2 Mechanism and kinetics for the Fenton-like reaction catalyzed by iron oxide
2.1 Radical mechanism
2.2 Active site mechanism
2.3 Oxygen vacancies mechanism
2.4 High-valent iron species mechanism
3 Production or regeneration of Fe(Ⅱ)surf-the rate-determining step
4 Modification of iron oxides
4.1 Multivalent iron mixture
4.2 Transition metal doped iron oxide
5 Conclusion and outlook

Clean Fuel Production Through High Temperature Co-Electrolysis of H2O and CO2
Wang Zhen, Yu Bo*, Zhang Wenqiang, Chen Jing, Xu Jingming
2013, 25 (07): 1229-1236 | DOI: 10.7536/PC121149
Published: 25 July 2013
Abstract

High temperature co-electrolysis (HTCE) technology using solid oxide electrolysis cell (SOEC) is a promising method for the production of clean fuels. Also, it is a novel path of CO2 neutral cycle for utilizing CO2 and thus reducing CO2 emissions due to the generation and use of synthetic liquid fuels for the existing transportation infrastructure. It can make use of renewable energy or nuclear energy to split H2O and CO2 in SOEC system to produce synthesis gas (H2+CO), which is raw materials of synthetic hydrocarbon fuels. In this paper, the basic principle, the advantages of co-electrolysis of H2O and CO2 via SOEC for clean fuel production, the key technologies and challenges are described in detail. The main advantages of this technique lie in the following aspects:It can provide a carbon neutral means of producing syngas while consuming CO2;It can obtain very high efficiency when coupled with renewable energies or advanced nuclear reactors; It has high flexibility such as reversible operation, modular, scalable process, and so on. And it can also be used as an efficient storage means for fluctuating renewable energy. The current research situation around the world and its application prospects in the field of advanced energy technologies are also discussed. Contents
1 Introduction
2 Technical overview of HTCE
2.1 Principle of HTCE
2.2 Technical features
2.3 Key technologies of HTCE
3 Research status of HTCE
4 Conclusions and outlook